4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol

C17H30N2O — CID 115494195

IUPAC4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol
SMILESCC(C)CC(CN(C)C)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)10-16(12-19(4)5)18-14(3)11-15-6-8-17(20)9-7-15/h6-9,13-14,16,18,20H,10-12H2,1-5H3
InChIKeyQXFFJQHHGBQNRY-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.89
Rot. Bonds8

About 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol

4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol (PubChem CID 115494195) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol
PubChem CID115494195
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol
SMILESCC(C)CC(CN(C)C)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)10-16(12-19(4)5)18-14(3)11-15-6-8-17(20)9-7-15/h6-9,13-14,16,18,20H,10-12H2,1-5H3
InChIKeyQXFFJQHHGBQNRY-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
3-(4-hydroxyphenyl)-2-(4-methylpentan-2-ylamino)propanoic acid
CID 114284796
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol
CID 43751770
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
CID 113322888
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol?
The IUPAC name of 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol (CID 115494195) is 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol.
What is the SMILES notation for 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol?
The canonical SMILES for 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol is CC(C)CC(CN(C)C)NC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol?
The InChIKey is QXFFJQHHGBQNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)10-16(12-19(4)5)18-14(3)11-15-6-8-17(20)9-7-15/h6-9,13-14,16,18,20H,10-12H2,1-5H3.
What are the key properties of 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol?
4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol has a molecular weight of 278.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol is sourced from PubChem (CID 115494195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).